Evolution of CH3NO2/Si interfacial chemistry under reaction conditions: a combined experimental and theoretical study

2017 ◽  
Vol 53 (23) ◽  
pp. 3342-3345 ◽  
Author(s):  
Xueqiang Zhang ◽  
Chen-Guang Wang ◽  
Wei Ji ◽  
Sylwia Ptasinska
Keyword(s):  
Density Functional Theory ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Theoretical Study ◽  
Ambient Pressure ◽  
Dissociative Adsorption ◽  
Interfacial Chemistry ◽  
Reaction Conditions ◽  
Functional Theory ◽  
X Ray

Dissociative adsorption of CH3NO2 onto a Si(100)-2 × 1 surface is studied using ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) and density functional theory (DFT) calculations.

Coupling Ambient Pressure X-ray Photoelectron Spectroscopy with Density Functional Theory to Study Complex Surface Chemistry and Catalysis

2018 ◽  
Vol 61 (20) ◽  
pp. 2175-2184 ◽  
Author(s):  
Ashley R. Head ◽  
Lena Trotochaud ◽  
Roman Tsyshevsky ◽  
Kenan Fears ◽  
Bryan Eichhorn ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Surface Chemistry ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Ambient Pressure ◽  
Complex Surface ◽  
Functional Theory ◽  
X Ray

Investigation of N2 adsorption on Fe3O4(001) using ambient pressure X-ray photoelectron spectroscopy and density functional theory

2020 ◽  
Vol 152 (5) ◽  
pp. 054717 ◽  
Author(s):  
Gemechis D. Degaga ◽  
Mikhail Trought ◽  
Slavomir Nemsak ◽  
Ethan J. Crumlin ◽  
Max Seel ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Ambient Pressure ◽  
N2 Adsorption ◽  
Functional Theory ◽  
X Ray
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